UCSF

ZINC37966686

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 15 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.03 6.99 -35.14 2 3 0 57 245.369 7
Hi High (pH 8-9.5) -0.03 5.94 -45.58 1 3 -1 52 244.361 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )